8-prop-2-enylsulfanyl-7H-purine
TL;DR: 8-prop-2-enylsulfanyl-7H-purine (CAS 5443-88-9) is a chemical compound with molecular formula C8H8N4S and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-prop-2-enylsulfanyl-7H-purine
Also Known As: 6-S-Allylthiopurine, 8-(allylthio)-7H-purine, 8-prop-2-enylsulfanyl-7H-purine, 8-(prop-2-en-1-ylsulfanyl)-7h-purine, 9H-Purine,8-(2-propen-1-ylthio)-
| Molecular Formula | C8H8N4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 5443-88-9 |
|---|---|
| SMILES | C=CCSC1=NC2=NC=NC=C2N1 |
| InChIKey | NGIMNFJZDBLEQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-prop-2-enylsulfanyl-7H-purine (CAS 5443-88-9), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: 8-prop-2-enylsulfanyl-7H-purine.
Chemical Property Profile of 8-prop-2-enylsulfanyl-7H-purine
Property Insights of 8-prop-2-enylsulfanyl-7H-purine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-prop-2-enylsulfanyl-7H-purine. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-prop-2-enylsulfanyl-7H-purine. Following Lipinski's Rule of Five, 8-prop-2-enylsulfanyl-7H-purine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-prop-2-enylsulfanyl-7H-purine?
The CAS number of 8-prop-2-enylsulfanyl-7H-purine is 5443-88-9.
What is the molecular formula of 8-prop-2-enylsulfanyl-7H-purine?
The molecular formula of 8-prop-2-enylsulfanyl-7H-purine is C8H8N4S.
What is the molecular weight of 8-prop-2-enylsulfanyl-7H-purine?
The molecular weight of 8-prop-2-enylsulfanyl-7H-purine is 192.05 g/mol.
Where can I buy 8-prop-2-enylsulfanyl-7H-purine?
You can request a quote for 8-prop-2-enylsulfanyl-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-prop-2-enylsulfanyl-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 8-prop-2-enylsulfanyl-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.